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With the rapid increase of compound databases available in medicinal and material science, there is a growing need for learning representations of molecules in a semi-supervised manner. In this paper, we propose an unsupervised hierarchical…

Machine Learning · Statistics 2017-11-30 Hai Nguyen , Shin-ichi Maeda , Kenta Oono

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

Machine Learning · Computer Science 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Computational efficiency is a major bottleneck in using classic graph-based approaches for semi-supervised learning on datasets with a large number of unlabeled examples. Known techniques to improve efficiency typically involve an…

Machine Learning · Computer Science 2023-06-13 Dravyansh Sharma , Maxwell Jones

Unraveling the co-expression of genes across studies enhances the understanding of cellular processes. Inferring gene co-expression networks from transcriptome data presents many challenges, including spurious gene correlations, sample…

Machine Learning · Statistics 2024-10-01 Teodora Pandeva , Martijs Jonker , Leendert Hamoen , Joris Mooij , Patrick Forré

Gene expression is significantly stochastic making modeling of genetic networks challenging. We present an approximation that allows the calculation of not only the mean and variance but also the distribution of protein numbers. We assume…

Molecular Networks · Quantitative Biology 2008-12-18 Vahid Shahrezaei , Peter S. Swain

As a natural extension of link prediction on graphs, hyperlink prediction aims for the inference of missing hyperlinks in hypergraphs, where a hyperlink can connect more than two nodes. Hyperlink prediction has applications in a wide range…

Machine Learning · Computer Science 2023-07-07 Can Chen , Yang-Yu Liu

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

Bayesian optimisation is a popular technique for hyperparameter learning but typically requires initial exploration even in cases where similar prior tasks have been solved. We propose to transfer information across tasks using learnt…

Machine Learning · Statistics 2019-05-28 Ho Chung Leon Law , Peilin Zhao , Lucian Chan , Junzhou Huang , Dino Sejdinovic

In recent years, graph neural networks (GNNs) have been widely adopted in the representation learning of graph-structured data and provided state-of-the-art performance in various applications such as link prediction, node classification,…

Machine Learning · Computer Science 2021-04-14 Dasol Hwang , Jinyoung Park , Sunyoung Kwon , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

We introduce a graph generating model aimed at representing the evolution of protein interaction networks. The model is based on the hypotesis of evolution by duplications and divergence of the genes which produce proteins. The obtained…

Statistical Mechanics · Physics 2007-05-23 A. Vazquez , A. Flammini , A. Maritan , A. Vespignani

The Gaussian graphical model is a widely used tool for learning gene regulatory networks with high-dimensional gene expression data. Most existing methods for Gaussian graphical models assume that the data are homogeneous, i.e., all samples…

Methodology · Statistics 2018-05-08 Bochao Jia , Faming Liang

We present a technique to characterize differentially expressed genes in terms of their position in a high-dimensional co-expression network. The set-up of Gaussian graphical models is used to construct representations of the co-expression…

Applications · Statistics 2010-11-17 Gabriel C. G. de Abreu , Rodrigo Labouriau

Use of computational methods to predict gene regulatory networks (GRNs) from gene expression data is a challenging task. Many studies have been conducted using unsupervised methods to fulfill the task; however, such methods usually yield…

Machine Learning · Computer Science 2016-08-15 Nihir Patel , Jason T. L. Wang

Recent advances in protein function prediction exploit graph-based deep learning approaches to correlate the structural and topological features of proteins with their molecular functions. However, proteins in vivo are not static but…

Biomolecules · Quantitative Biology 2022-11-22 Yuan Chiang , Wei-Han Hui , Shu-Wei Chang

We discuss probabilistic methods for predicting protein functions from protein-protein interaction networks. Previous work based on Markov Randon Fields is extended and compared to a general machine-learning theoretic approach. Using actual…

Molecular Networks · Quantitative Biology 2007-05-23 Christoph Best , Ralf Zimmer , Joannis Apostolakis

Graph neural networks have shown superior performance in a wide range of applications providing a powerful representation of graph-structured data. Recent works show that the representation can be further improved by auxiliary tasks.…

Machine Learning · Computer Science 2021-02-09 Dasol Hwang , Jinyoung Park , Sunyoung Kwon , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

We propose a simple discrete time semi-supervised graph embedding approach to link prediction in dynamic networks. The learned embedding reflects information from both the temporal and cross-sectional network structures, which is performed…

Machine Learning · Statistics 2016-10-17 Ryohei Hisano

Hypergraph neural networks have been promising tools for handling learning tasks involving higher-order data, with notable applications in web graphs, such as modeling multi-way hyperlink structures and complex user interactions. Yet, their…

Machine Learning · Computer Science 2025-01-28 Yifan Wang , Gonzalo R. Arce , Guangmo Tong

Recently, graph convolutional network (GCN) has been widely used for semi-supervised classification and deep feature representation on graph-structured data. However, existing GCN generally fails to consider the local invariance constraint…

Computer Vision and Pattern Recognition · Computer Science 2018-09-27 Bo Jiang , Doudou Lin